RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0153163
RefMet name	Galactaric acid
Systematic name	2R,3S,4R,5S-tetrahydroxy-hexanedioic acid
Synonyms	PubChem Synonyms
Sum Composition	FA 6:1;O6	View other entries in RefMet with this sum composition
Exact mass	210.037570 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C6H10O8	View other entries in RefMet with this formula
Molecular descriptors
Molfile	2023 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-
InChIKey	DSLZVSRJTYRBFB-DUHBMQHGSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	[C@H]([C@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Fatty acids
Sub Class	Dicarboxylic acids
Distribution of Galactaric acid in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Galactaric acid
External Links
Pubchem CID	3037582
LIPID MAPS	LMFA01170107
ChEBI ID	30852
KEGG ID	C00879
HMDB ID	HMDB0000639
Chemspider ID	2301286
Spectral data for Galactaric acid standards
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)